The Lennard-Jones potential (L-J) was proposed in 1931 in order to model the concurrence between the long-range attraction and the short-range repulsion in radial interatomic interactions [1]}. In a later work, the
description of such potential was employed in order to describe the equation of state of a gas in terms of its interatomic forces [2]}, thus concluding and enhancing an investigation started by Mie in 1903 [3]}. The L-J potential is usually used, at the level of classical statistical mechanics, to study the behavior of fluid materials, ranging from simple molecules to polymers and proteins [4]}, [5]}, [6]}. In theoretical quantum chemistry, among many applications, we point out: its implementation in the theory of molecular orbitals, allowing to compute the tendency of two electrons in the same space orbital to keep each other apart because of the repulsive field between them [7]}; the numerical implementations in order to compute the transferable inter-molecular potential functions (TIPS) in alcohols, ethers and water, that have given an understanding of the interactions of these chemical compounds in solvents [8]}. Also a mathematical model that has been proposed for calculating the isosteric heat of adsorption of simple fluids onto flat surfaces. On this respect, theoretical and experimental results were compared in order to study the influence of the choice of the intermolecular potential parameters [9]}. Finally, a experimental methodology and theoretical calculations applying the Lennard-Jones potential, for determining micropore-size distributions, obtained from physical adsorption isotherm data, have provided valuable microstructural information, which is still widely used today [10]}, [11]}, [12]}.
